[1-(oxan-3-yl)imidazol-2-yl]methanamine

C9H15N3O — CID 84732373

IUPAC[1-(oxan-3-yl)imidazol-2-yl]methanamine
SMILESNCc1nccn1C1CCCOC1
InChIInChI=1S/C9H15N3O/c10-6-9-11-3-4-12(9)8-2-1-5-13-7-8/h3-4,8H,1-2,5-7,10H2
InChIKeyBAXOZOXTPXBONS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds2

About [1-(oxan-3-yl)imidazol-2-yl]methanamine

[1-(oxan-3-yl)imidazol-2-yl]methanamine (PubChem CID 84732373) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-(oxan-3-yl)imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-3-yl)imidazol-2-yl]methanamine
PubChem CID84732373
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-(oxan-3-yl)imidazol-2-yl]methanamine
SMILESNCc1nccn1C1CCCOC1
InChIInChI=1S/C9H15N3O/c10-6-9-11-3-4-12(9)8-2-1-5-13-7-8/h3-4,8H,1-2,5-7,10H2
InChIKeyBAXOZOXTPXBONS-UHFFFAOYSA-N
XLogP0.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-3-yl)imidazol-2-yl]methanamine?
The IUPAC name of [1-(oxan-3-yl)imidazol-2-yl]methanamine (CID 84732373) is [1-(oxan-3-yl)imidazol-2-yl]methanamine.
What is the SMILES notation for [1-(oxan-3-yl)imidazol-2-yl]methanamine?
The canonical SMILES for [1-(oxan-3-yl)imidazol-2-yl]methanamine is NCc1nccn1C1CCCOC1.
What is the InChIKey of [1-(oxan-3-yl)imidazol-2-yl]methanamine?
The InChIKey is BAXOZOXTPXBONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-6-9-11-3-4-12(9)8-2-1-5-13-7-8/h3-4,8H,1-2,5-7,10H2.
What are the key properties of [1-(oxan-3-yl)imidazol-2-yl]methanamine?
[1-(oxan-3-yl)imidazol-2-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-3-yl)imidazol-2-yl]methanamine is sourced from PubChem (CID 84732373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).